ethyl 2-[2-(furan-2-ylmethylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 2-[2-(furan-2-ylmethylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-[2-(2-furylmethylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[2-(2-furanylmethylthio)-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(furan-2-ylmethylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-(2-furfurylthio)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid ethyl ester Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C(C)SCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C(C)SCC4=CC=CO4

InChI

InChI=1S/C23H23NO4S2/c1-3-27-23(26)19-18-11-10-15-7-4-5-9-17(15)20(18)30-22(19)24-21(25)14(2)29-13-16-8-6-12-28-16/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,24,25)